2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one

C13H22N4O — CID 119881436

IUPAC2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCc1cnn(C2CCCN(C(=O)C(C)(C)N)C2)c1
InChIInChI=1S/C13H22N4O/c1-10-7-15-17(8-10)11-5-4-6-16(9-11)12(18)13(2,3)14/h7-8,11H,4-6,9,14H2,1-3H3
InChIKeyPMYHLNWQCNJNKR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.09
Rot. Bonds2

About 2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one

2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 119881436) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
PubChem CID119881436
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCc1cnn(C2CCCN(C(=O)C(C)(C)N)C2)c1
InChIInChI=1S/C13H22N4O/c1-10-7-15-17(8-10)11-5-4-6-16(9-11)12(18)13(2,3)14/h7-8,11H,4-6,9,14H2,1-3H3
InChIKeyPMYHLNWQCNJNKR-UHFFFAOYSA-N
XLogP1.09
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 119881484
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
CID 95287275
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]methanone
CID 95284553
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
N-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 122137381
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
1-[(4R)-4-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 95281814
(2-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119947144
4-amino-3-methoxy-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 120596704
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95382852
(4R)-1-cyclopropyl-4-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95289665
N-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide
CID 95280605

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one (CID 119881436) is 2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one is Cc1cnn(C2CCCN(C(=O)C(C)(C)N)C2)c1.
What is the InChIKey of 2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is PMYHLNWQCNJNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-7-15-17(8-10)11-5-4-6-16(9-11)12(18)13(2,3)14/h7-8,11H,4-6,9,14H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one?
2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one has a molecular weight of 250.35 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119881436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).